N-Stearoyl-L-Tyrosylglycyl-L-Tyrosyl-L-Arginyl-L-Leucyl-L-Arginyl-L-Arginyl-L-Lysyl-L-Tryptophyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Lysyl-L-Isoleucyl-L-Prolyl-L-Asparaginyl-L-Prolinamide
[CAS# 222018-18-0]

Identification

• Name: N-Stearoyl-L-Tyrosylglycyl-L-Tyrosyl-L-Arginyl-L-Leucyl-L-Arginyl-L-Arginyl-L-Lysyl-L-Tryptophyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Lysyl-L-Isoleucyl-L-Prolyl-L-Asparaginyl-L-Prolinamide
• Synonyms: Lyn peptide inhibitor
• Molecular Formula: C₁₁₅H₁₈₄N₃₀O₂₄
• Molecular Weight: 2370.88
• CAS Registry Number: 222018-18-0
• SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)N)C(=O)N6CCC[C@H]6C(=O)N
• InChI: 1S/C115H184N30O24/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42-93(149)131-86(63-71-43-47-74(146)48-44-71)99(156)130-68-94(150)132-87(64-72-45-49-75(147)50-46-72)108(165)137-82(39-30-59-128-115(124)125)103(160)140-85(62-69(3)4)107(164)136-81(38-29-58-127-114(122)123)101(158)135-80(37-28-57-126-113(120)121)100(157)133-78(35-24-26-55-116)102(159)141-88(65-73-67-129-77-34-23-22-33-76(73)77)109(166)139-84(52-54-96(153)154)105(162)138-83(51-53-95(151)152)104(161)134-79(36-25-27-56-117)106(163)143-97(70(5)7-2)112(169)145-61-32-41-91(145)110(167)142-89(66-92(118)148)111(168)144-60-31-40-90(144)98(119)155/h22-23,33-34,43-50,67,69-70,78-91,97,129,146-147H,6-21,24-32,35-42,51-66,68,116-117H2,1-5H3,(H2,118,148)(H2,119,155)(H,130,156)(H,131,149)(H,132,150)(H,133,157)(H,134,161)(H,135,158)(H,136,164)(H,137,165)(H,138,162)(H,139,166)(H,140,160)(H,141,159)(H,142,167)(H,143,163)(H,151,152)(H,153,154)(H4,120,121,126)(H4,122,123,127)(H4,124,125,128)/t70-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-/m0/s1
• InChIKey: MITSVNFZLBORMW-QMGLJYLZSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.648 (Cal.)
• solubility: Soluble to 10 mg/ml in water